Base information
| Cat. No. | |
| CAS No. | 86604-80-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| Exact Mass | 167.095 |
| XLogP3 | 2.0489 |
| Mr | 48.994 |
| PSA | 34.69 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)c[n+](c(c1C)C)[O-] |
